8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine

C17H20FN5 — CID 133394032

IUPAC8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine
SMILESCc1cc(NCCc2nncn2C(C)C)c2cccc(F)c2n1
InChIInChI=1S/C17H20FN5/c1-11(2)23-10-20-22-16(23)7-8-19-15-9-12(3)21-17-13(15)5-4-6-14(17)18/h4-6,9-11H,7-8H2,1-3H3,(H,19,21)
InChIKeyZEBQMVKDVNOCQG-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.51
Rot. Bonds5

About 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine

8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine (PubChem CID 133394032) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine
PubChem CID133394032
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine
SMILESCc1cc(NCCc2nncn2C(C)C)c2cccc(F)c2n1
InChIInChI=1S/C17H20FN5/c1-11(2)23-10-20-22-16(23)7-8-19-15-9-12(3)21-17-13(15)5-4-6-14(17)18/h4-6,9-11H,7-8H2,1-3H3,(H,19,21)
InChIKeyZEBQMVKDVNOCQG-UHFFFAOYSA-N
XLogP3.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine?
The IUPAC name of 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine (CID 133394032) is 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine is Cc1cc(NCCc2nncn2C(C)C)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine?
The InChIKey is ZEBQMVKDVNOCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c1-11(2)23-10-20-22-16(23)7-8-19-15-9-12(3)21-17-13(15)5-4-6-14(17)18/h4-6,9-11H,7-8H2,1-3H3,(H,19,21).
What are the key properties of 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine?
8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine has a molecular weight of 313.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 133394032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).